1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]indole-3-carboxylic acid

Systemtic Name: 1-phenyl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]indole-3-carboxylic acid Openeye Name: 1-phenyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]indole-3-carboxylic acid CAS Name: 2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-1-phenyl-3-indolecarboxylic acid IUPAC Name: 1-phenyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]indole-3-carboxylic acid Traditional Name: 1-phenyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazino]indole-3-carboxylic acid Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C4=CC=CC=C4N3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C4=CC=CC=C4N3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H29N3O6/c1-36-23-17-19(18-24(37-2)26(23)38-3)28(33)31-15-13-30(14-16-31)27-25(29(34)35)21-11-7-8-12-22(21)32(27)20-9-5-4-6-10-20/h4-12,17-18H,13-16H2,1-3H3,(H,34,35)